[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone

C12H12N4OS — CID 126853348

IUPAC[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(Nc2cccnn2)C1
InChIInChI=1S/C12H12N4OS/c17-12(9-3-5-18-8-9)16-6-10(7-16)14-11-2-1-4-13-15-11/h1-5,8,10H,6-7H2,(H,14,15)
InChIKeyWMIMIIRFQDVAEH-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.47
Rot. Bonds3

About [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone

[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 126853348) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
PubChem CID126853348
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(Nc2cccnn2)C1
InChIInChI=1S/C12H12N4OS/c17-12(9-3-5-18-8-9)16-6-10(7-16)14-11-2-1-4-13-15-11/h1-5,8,10H,6-7H2,(H,14,15)
InChIKeyWMIMIIRFQDVAEH-UHFFFAOYSA-N
XLogP1.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
CID 144655820
(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone
CID 126853351
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
[(3aR,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97376851
[(3aS,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97376850
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167
(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 71878647
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
N-cyclopentylpyridazin-3-amine
CID 62482227
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[4-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 138383229
(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-thiophen-3-ylmethanone
CID 110196117

Frequently Asked Questions

What is the IUPAC name of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone (CID 126853348) is [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC(Nc2cccnn2)C1.
What is the InChIKey of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is WMIMIIRFQDVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(9-3-5-18-8-9)16-6-10(7-16)14-11-2-1-4-13-15-11/h1-5,8,10H,6-7H2,(H,14,15).
What are the key properties of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 260.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 126853348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).